SCHEMBL11629628

SCHEMBL11629628

COC(c1ccc(F)cc1)(c1cccnc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.47
GPR55 Q9Y2T6 1/20 0.45
KIF11 P52732 1/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A5 P20815 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11628087 0.83 GPR55 (0.41) CYP19A1GPR55KIF11CYP3A4LMNA
SCHEMBL11682260 0.82 USP2 (0.52) CYP19A1KIF11
SCHEMBL2084239 0.77 CYP19A1 (0.51) CYP19A1GPR55KIF11CYP3A4LMNA
SCHEMBL11626306 0.75 CYP19A1 (0.50) CYP19A1GPR55KIF11CYP3A4LMNA
SCHEMBL11630004 0.75 CYP19A1 (0.50) CYP19A1GPR55CYP3A4LMNACYP1A2
SCHEMBL5459597 0.74 GPR55 (0.49) CYP19A1GPR55KIF11CYP3A4LMNA
SCHEMBL30927967 0.74 CYP19A1 (0.51) CYP19A1GPR55CYP3A4LMNACYP1A2
SCHEMBL29226478 0.74 CYP19A1 (0.51) CYP19A1GPR55CYP3A4LMNACYP1A2
SCHEMBL29226475 0.74 CYP19A1 (0.51) CYP19A1GPR55CYP3A4LMNACYP1A2
Hydrochloric Acid SCHEMBL11627727 0.74 CYP19A1 (0.49) CYP19A1GPR55KIF11CYP3A4LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 US disclosed